SCHEMBL5654738

SCHEMBL5654738

O=C1OC(COC(=O)c2ccsc2)C=C1c1cccc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
CACNA1F O60840 1/20 0.31
ABCB1 P08183 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5653044 0.88 L3MBTL1 (0.36) L3MBTL1MEN1KMT2A
SCHEMBL5653660 0.86 SMN1; SMN2 (0.42) L3MBTL1ATMTDP1LMNASMN1; SMN2
SCHEMBL5652522 0.83 SLC6A3 (0.35) LMNANPC1KMT2A
SCHEMBL5653037 0.83 MEN1 (0.36) L3MBTL1LMNAKDM4EMEN1NPC1
SCHEMBL5653859 0.82 L3MBTL1 (0.38) L3MBTL1ATMTDP1LMNASMN1; SMN2
SCHEMBL5666340 0.80 NLRP3 (0.39) TDP1KDM4EMAPK1CACNA1FABCB1
SCHEMBL5652657 0.79 CSNK2A2 (0.37) LMNACACNA1FABCB1CACNA1DCACNA1S
SCHEMBL5655563 0.78 CYP2D6 (0.40) L3MBTL1TDP1SMN1; SMN2KDM4ECACNA1F
SCHEMBL5655350 0.77 TGM2 (0.34) TDP1KDM4ECACNA1FABCB1CACNA1D
SCHEMBL5654672 0.76 ALDH1A1 (0.32) TDP1LMNASMN1; SMN2KDM4EMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259948-A1 Compounds with antifungal properties and process thereof FDC LIMITED (IN) 2007-11-08 US disclosed
US-20070259948-A1 Compounds with antifungal properties and process thereof FDC LIMITED (IN) 2007-11-08 US disclosed
US-20070259948-A1 Compounds with antifungal properties and process thereof FDC LIMITED (IN) 2007-11-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070259948-A1 Compounds with antifungal properties and process thereof ADH5, GK, AKR1C3 ELANE 1589/4885L3MBTL1 3159/4885ATM 3706/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.